N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide

C22H22FN3O3 — CID 137290687

IUPACN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NCCCO)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C22H22FN3O3/c1-14(28)25-18-6-3-15(4-7-18)16-11-20(19-13-17(23)5-8-21(19)29)26-22(12-16)24-9-2-10-27/h3-8,11-13,27,29H,2,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyWMCMCCHPQJMQNX-UHFFFAOYSA-N
MW395.43 g/mol
LogP4.01
Rot. Bonds7

About N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide

N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide (PubChem CID 137290687) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
PubChem CID137290687
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(NCCCO)nc(-c3cc(F)ccc3O)c2)cc1
InChIInChI=1S/C22H22FN3O3/c1-14(28)25-18-6-3-15(4-7-18)16-11-20(19-13-17(23)5-8-21(19)29)26-22(12-16)24-9-2-10-27/h3-8,11-13,27,29H,2,9-10H2,1H3,(H,24,26)(H,25,28)
InChIKeyWMCMCCHPQJMQNX-UHFFFAOYSA-N
XLogP4.01
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(2-methylpropylamino)-4-pyridinyl]phenyl]acetamide
CID 137290680
2-[4-(2,6-dichlorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-fluorophenol
CID 137290814
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-[(4-methylcyclohexyl)amino]-4-pyridinyl]phenyl]acetamide
CID 137290692
4-chloro-2-[4-(2-chloro-6-fluorophenyl)-6-(3-hydroxypropylamino)-2-pyridinyl]-5-methylphenol
CID 137306942
N-[4-(4-fluorophenyl)phenyl]acetamide
CID 9812
2-[4-(1,3-benzodioxol-4-yl)-6-(3-hydroxypropylamino)-2-pyridinyl]-4-chlorophenol
CID 137307258
4-[2-(2-hydroxy-5-methoxyphenyl)-6-(3-methoxypropylamino)-4-pyridinyl]benzonitrile
CID 137306913
1-[3-[[4-(4-chloro-3-fluorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290617
4-methyl-2-[4-(4-methylsulfanylphenyl)-6-(2-pyrrolidin-1-ylethylamino)-2-pyridinyl]phenol
CID 137290748
1-[4-[6-(5-fluoro-2-methylsulfonylphenyl)-2-(3-methylmorpholin-4-yl)pyrimidin-4-yl]phenyl]-3-(3-hydroxypropyl)urea
CID 67382577
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
1-[3-[[4-(2,6-dichlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2-pyridinyl]amino]propyl]pyrrolidin-2-one
CID 137290843

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide?
The IUPAC name of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide (CID 137290687) is N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide?
The canonical SMILES for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(NCCCO)nc(-c3cc(F)ccc3O)c2)cc1.
What is the InChIKey of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide?
The InChIKey is WMCMCCHPQJMQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-14(28)25-18-6-3-15(4-7-18)16-11-20(19-13-17(23)5-8-21(19)29)26-22(12-16)24-9-2-10-27/h3-8,11-13,27,29H,2,9-10H2,1H3,(H,24,26)(H,25,28).
What are the key properties of N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide?
N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide has a molecular weight of 395.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-fluoro-2-hydroxyphenyl)-6-(3-hydroxypropylamino)-4-pyridinyl]phenyl]acetamide is sourced from PubChem (CID 137290687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).